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Related entries of code: 3zm6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2am1RCSB PDB    PDBbind454aa, >2AM1_1|Chain... at 100%
2am2RCSB PDB    PDBbind454aa, >2AM2_1|Chain... at 100%
3zm5RCSB PDB    PDBbind465aa, >3ZM5_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3zm6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameUDP-N-ACETYLMURAMOYL-TRIPEPTIDE--D-ALANYL-D-ALANINE LIGASE
Ligand Name2GN
EC.Number E.C.6.3.2.10
Resolution 1.84(Å)
Affinity (Kd/Ki/IC50)IC50=0.30uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Eur.J.Med.Chem. Vol. 66C: pp. 32
Ligand Properties
Formula C27H25Cl2N8O4S2
Molecular Weight 660.575
Exact Mass 659.082
No. of atoms 68
No. of bonds 73
Polar Surface Area 195.02
LOGP Value 3.68      (Computed with XLOGP3)
5.18      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 6
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q8DNV6  
Entrez Gene IDNCBI Entrez Gene ID: 60234486  
ASDInformation of known allosteric effects of PDB entries
 
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